exo-cis-Lurasidone-D8 Hydrochloride

Analyte Name

exo-cis-Lurasidone-D8 Hydrochloride

Molecular Formula

C28H28D8N4O2S . (HCl)

Molecular Weight

537.19

Accurate Mass

536.29

SMILES

O=C1N(C[C@]2([H])CCCC[C@]2([H])CN3C([2H])([2H])C([2H])([2H])N(C4=NSC5=C4C=CC=C5)C([2H])([2H])C3([2H])[2H])C([C@@]6([H])[C@@H]7CC[C@@H](C7)[C@]61[H])=O.Cl

InChI

InChI=1S/C28H36N4O2S.ClH/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26;/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2;1H/t18-,19+,20-,21+,24+,25-;/m1./s1/i11D2,12D2,13D2,14D2;

IUPAC

(3aR,4S,7R,7aS)-2-(((1R,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl-2,2,3,3,5,5,6,6-d8)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione hydrochloride

Unlabelled CAS Number

139563-25-0; Free Base: 194861-82-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat